CHEMBL1178768
SMILES | CCO/N=C/C(O)CNC(C)(C)C |
InChIKey | XTWDPMSYYKHNOK-YRNVUSSQSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 188.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Bovine | Adrenoceptors | A | pKi | 5.85 | 5.96 | 6.07 | ChEMBL |
β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 5.97 | 6.02 | 6.07 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Bovine | Adrenoceptors | A | pIC50 | 6.57 | 6.57 | 6.57 | ChEMBL |
β1 | ADRB1 | Rat | Adrenoceptors | A | pIC50 | 5.08 | 5.08 | 5.08 | ChEMBL |
β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pIC50 | 4.86 | 4.86 | 4.86 | ChEMBL |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pIC50 | 6.01 | 6.01 | 6.01 | ChEMBL |